Please use this identifier to cite or link to this item:
Title: Reactivity, energetics and molecular structure: A theoretical and experimental approach
Authors: Dávalos Prado, Juan Z.
Keywords: Thermodynamic stability;Proton-exchange;Molecular-structure;Combustion calorimetry
Issue Date: Dec-2012
Publisher: Universidad Nacional de Ingeniería
Series/Report no.: Volumen;15
Related URI: Dávalos Prado, J. (2012). Reactivity, energetics and molecular structure: A theoretical and experimental approach. REVCIUNI, 15(1).
Abstract: We study chemical reactivity, energetics, interactions and structure of neutral and ionic species - in the gas phase- of fundamental, biological and technological relevance. For this purpose, we use a number of experimental (Fourier Transform Ion Cyclotron Resonance FT-ICR; calorimetry of combustion; Knudsen's effusion; photoelectron-photoion coincidence spectroscopy PEPICO) and theoretical techniques. The combination of the experimental results with those obtained by means of quantum-mechanic calculations (ab-initio, DFT) allow us to: i) obtain quantitative information on thermodynamic and kinetic of a variety of reactions in the phase gas, ii) determine interesting and novel relationship of reactivity-chemical structure, iii) determine the thermodynamic stability of neutral and ionic species, iv) to discover new species and new types of chemical bonds.
ISSN: 1813 – 3894
Rights: info:eu-repo/semantics/restrictedAccess
Appears in Collections:Vol. 15 Núm. 1 (2012)

Files in This Item:
File Description SizeFormat 
REVCIUNI_Vol15-n1-Art.8.pdf732,21 kBAdobe PDFView/Open

This item is licensed under a Creative Commons License Creative Commons

Indexado por:
Indexado por Scholar Google LaReferencia Concytec BASE renati ROAR ALICIA RepoLatin UNI